SCHEMBL7006071

SCHEMBL7006071

COc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 1/20 0.48
ESR1 P03372 3/20 0.41
GAA P10253 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
FPR2 P25090 2/20 0.38
SCN9A Q15858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC4 P56524 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KCNH2 Q12809 1/20 0.36
BLM P54132 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7009043 0.94 S1PR1 (0.53) S1PR1S1PR3ESR1TRPV1FPR2
SCHEMBL7009823 0.88 S1PR1 (0.48) S1PR1S1PR3ESR1TRPV1FPR2
SCHEMBL5252670 0.85 S1PR1 (0.52) S1PR1S1PR3TRPV1SCN9AHDAC4
SCHEMBL7007490 0.85 S1PR1 (0.46) S1PR1S1PR3ESR1TRPV1FPR2
SCHEMBL7866159 0.82 S1PR1 (0.44) S1PR1S1PR3TRPV1
SCHEMBL7013398 0.81 MAPT (0.50) GAACYP1A2CYP2C9
SCHEMBL7004813 0.79 S1PR1 (0.43) S1PR1S1PR3TRPV1CYP1A2CYP2C9
SCHEMBL7009267 0.79 KMT2A (0.53) S1PR1S1PR3CYP1A2CYP2C9
SCHEMBL7007712 0.78 S1PR1 (0.47) S1PR1S1PR3TRPV1FPR2SCN9A
SCHEMBL7008000 0.76 TRPV1 (0.49) S1PR1S1PR3TRPV1SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP claimed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP claimed
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP disclosed
US-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0823431-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1998-02-11 EP disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed